REMARK  Name = BDB044742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.464   1.268   0.038  0.00  0.00    -0.285 NA
ATOM      2  H   LIG    1       -1.855   2.009   0.398  0.00  0.00    +0.188 HD
ATOM      3  C   LIG    1       -1.779   0.217  -0.282  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   3   4
ATOM      4  C   LIG    1       -0.312   0.113  -0.061  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        0.474  -0.597  -0.974  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.851  -0.707  -0.770  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.440  -0.113   0.346  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        1.656   0.590   1.262  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        0.279   0.705   1.061  0.00  0.00    +0.011 A 
ENDBRANCH   3   4
BRANCH   3  10
ATOM     10  N   LIG    1       -2.464  -0.824  -0.835  0.00  0.00    -0.343 N 
ATOM     11  H   LIG    1       -2.156  -1.748  -0.557  0.00  0.00    +0.144 HD
ATOM     12  H   LIG    1       -3.465  -0.696  -0.718  0.00  0.00    +0.144 HD
ENDBRANCH   3  10
TORSDOF 2